ENONE-C
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ENONE-C
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CAS No:
53872-62-1
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Formula:
C17H17ClO5
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Chemical Name:
ENONE-C
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Synonyms:
C17H17ClO5;[3AA,4A(E),5B,6AA]-4-[4-(3-Chlorophenoxy)-3-oxo-1-butenyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one;7993AH;ZINC96675079;(3aR,4R,5R,6aS)-4-[(1E)-4-(3-Chlorophenoxy)-3-oxo-1-buten-1-yl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one;(3Ar,4R,5R,6aS)-4-[(E)-4-(3-chlorophenoxy)-3-oxobut-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
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CAS No:
Computed Properties
Molecular Weight:336.8
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:336.0764513
Monoisotopic Mass:336.0764513
Topological Polar Surface Area:72.8
Heavy Atom Count:23
Complexity:491
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes